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(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-2-{[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]carbamoyl}-1-methoxy-2-methylethyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-[(2S)-3-methyl-2-(methylamino)butanamido]butanamide

Compound number:
MolPort-039-062-217
CAS number: 474645-27-7
IUPAC:
(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-2-{[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]carbamoyl}-1-methoxy-2-methylethyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-[(2S)-3-methyl-2-(methylamino)butanamido]butanamide
IUPAC traditional:
monomethyl auristatin E
SMILES:
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C
InChI key:
DASWEROEPLKSEI-UIJRFTGLSA-N
Molecular formula:
C39H67N5O7
Molecular weight: 717.993

Marketplace Offers

Price range: from to USD Pack size: from to mg
In warehouse: from to mg Lead time: from to days
S&H to USA: 40.00 USD
S&H to World: 100.00 USD

Supplier Catalogue Data


Catalog: Screening compound Ships out: 7 business days Purity: n/a
Last updated: this week In warehouse: Unverified Salt: Free Base
Pack size Ships out Price Qty
1 mg April 2, 2019 136.80 USD
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5 mg April 2, 2019 326.40 USD
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25 mg April 2, 2019 939.60 USD
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S&H to USA: 50.00 USD
S&H to World: 85.00 USD

Supplier Catalogue Data


Catalog: Screening compound Ships out: 7 business days Purity: n/a
Last updated: this week In warehouse: Unverified
Pack size Ships out Price Qty
1 mg April 2, 2019 79.20 USD
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5 mg April 2, 2019 130.80 USD
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10 mg April 2, 2019 196.80 USD
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S&H to USA: 30.00 USD
S&H to World: 50.00 USD

Supplier Catalogue Data


Catalog: Screening compound Ships out: 7 business days Purity: 99.47%
Last updated: this month In warehouse: 65.90 mg
Pack size Ships out Price Qty
1 mg April 2, 2019 70.00 USD
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5 mg April 2, 2019 120.00 USD
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10 mg April 2, 2019 180.00 USD
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S&H to USA: 60.00 USD
S&H to World: 180.00 USD

Supplier Catalogue Data


Catalog: Screening compound Ships out: 20 business days Purity: >=95%
Last updated: this week In warehouse: Unverified
Pack size Ships out Price Qty
1 mg April 19, 2019 148.80 USD
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5 mg April 19, 2019 352.32 USD
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10 mg April 19, 2019 546.24 USD
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S&H to USA: 17.00 USD
S&H to World: 120.00 USD

Supplier Catalogue Data


Catalog: Building blocks Ships out: 2 business days Purity: 98% (HPLC)
Last updated: this week In warehouse: 740.00 mg
Pack size Ships out Price Qty
5 mg March 26, 2019 97.00 USD
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10 mg March 26, 2019 186.00 USD
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25 mg March 26, 2019 321.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-039-062-217
CAS number: 474645-27-7

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000085537145
MFCD22124498
Monomethyl auristatin E
Monomethyl auristatin E (MMAE)
N-methyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-L-valinamide
VedotinMMAE

InChI
InChI: 1S/C39H67N5O7/c1-13-25(6)34(43(10)39(49)33(24(4)5)42-38(48)32(40-9)23(2)3)30(50-11)22-31(45)44-21-17-20-29(44)36(51-12)26(7)37(47)41-27(8)35(46)28-18-15-14-16-19-28/h14-16,18-19,23-27,29-30,32-36,40,46H,13,17,20-22H2,1-12H3,(H,41,47)(H,42,48)/t25-,26+,27+,29-,30+,32-,33-,34-,35+,36+/m0/s1
InChI key: DASWEROEPLKSEI-UIJRFTGLSA-N

Calculated Properties
Molecular formula: C39H67N5O7
Molecular weight: 717.993

Other

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2018 MolPort, v2.66, release date 05-03-2019 15:00 (+0200). All rights reserved.
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